CID 446355

(s)-mcpg

Structural Information

Molecular Formula
C10H11NO4
SMILES
C[C@](C1=CC=C(C=C1)C(=O)O)(C(=O)O)N
InChI
InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
DNCAZYRLRMTVSF-JTQLQIEISA-N
Compound name
4-[(1S)-1-amino-1-carboxyethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

350
References

289
Patents

209.0688 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.1
[M+Na]+ 232.05802 152.6
[M+NH4]+ 227.10262 149.3
[M+K]+ 248.03196 150.7
[M-H]- 208.06152 142.8
[M+Na-2H]- 230.04347 147.4
[M]+ 209.06825 144.5
[M]- 209.06935 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe